CID 145913561

2377034-26-7

Structural Information

Molecular Formula
C6H9ClF2O4S
SMILES
CCOC(=O)C(CCS(=O)(=O)Cl)(F)F
InChI
InChI=1S/C6H9ClF2O4S/c1-2-13-5(10)6(8,9)3-4-14(7,11)12/h2-4H2,1H3
InChIKey
PDOGPKLTINABBZ-UHFFFAOYSA-N
Compound name
ethyl 4-chlorosulfonyl-2,2-difluorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.98781 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.99509 143.2
[M+Na]+ 272.97703 152.0
[M-H]- 248.98053 141.5
[M+NH4]+ 268.02163 161.7
[M+K]+ 288.95097 149.2
[M+H-H2O]+ 232.98507 138.3
[M+HCOO]- 294.98601 152.6
[M+CH3COO]- 309.00166 186.4
[M+Na-2H]- 270.96248 146.4
[M]+ 249.98726 147.9
[M]- 249.98836 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.